Structure of PDB 5jqw Chain A Binding Site BS01

Receptor Information
>5jqw Chain A (length=365) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIGIIGAGQLARMLSLAGTPLGLEFHCLGKNGDCAEEVVKTVTDIELTK
VNDVVAWAKQFDVITFENENISHELIKAINHEVSVYPSAKAIAISQDRLL
EKSFMQDHGIATAKFVNIDSLAKLQSAVDDHGLPAILKTRRFGYDGKGQF
VIRSQEDITKAWDVLKDAPDGLIYEAFVDFDYEVSQICTADLKGNIAFYP
LARNTHKQGIIVESEAPFENVVLAEKAQQIAKILVKEFAYVGTLAIEFFV
KGDELIVNEIAPRVHNSGHWSIDGAVTSQFENHVRAIAGLILGDTTSRKT
VMLNCIGGMPATKDLAALDRVKIHSYNKEPRKGRKVGHLNLNLNDETDEY
QLLQVKKLIALSEEI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5jqw Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5jqw The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP
Resolution2.06 Å
Binding residue
(original residue number in PDB)		R98 K138 G143 Y144 D145 G146 V178 E183 H206 F249 E259
Binding residue
(residue number reindexed from 1)		R98 K138 G143 Y144 D145 G146 V178 E183 H206 F249 E259
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y144 G146 E247 E259 N266 S267 K335
Catalytic site (residue number reindexed from 1) Y144 G146 E247 E259 N266 S267 K335
Enzyme Commision number 6.3.4.18: 5-(carboxyamino)imidazole ribonucleotide synthase.
Gene Ontology
Molecular Function
GO:0004638 phosphoribosylaminoimidazole carboxylase activity
GO:0005524 ATP binding
GO:0016829 lyase activity
GO:0016874 ligase activity
GO:0034028 5-(carboxyamino)imidazole ribonucleotide synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5jqw, PDBe:5jqw, PDBj:5jqw
PDBsum5jqw
PubMed
UniProtQ5NGE8

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